Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.0003    0.3931    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9133   -0.1242   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545    0.5602   -0.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120    0.0780   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706   -1.1161    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -1.5744    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987   -0.8454    0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672    0.3573   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275    0.8112   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1245    1.1068   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    1.4537    0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8912   -0.1894    0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236   -1.1836   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -1.6659    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   -2.5191    1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8623   -1.1998    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850    1.7514   -1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9504    0.5998    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411    1.1168   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308    2.1896   -0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers